6HH3

ADP-ribosylserine hydrolase ARH3 of Latimeria chalumnae in complex with ADP-HPD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	66.850, 98.248, 105.624
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.540 - 1.820
R-factor	0.18072
Rwork	0.179
R-free	0.21005
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2foz
RMSD bond length	0.009
RMSD bond angle	1.418
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.550	1.870
High resolution limit [Å]	1.820	1.820
Rmerge	0.101	2.242
Rmeas	0.109	2.434
Rpim	0.042	0.941
Number of reflections	63174	4589
<I/σ(I)>	11.2	1.1
Completeness [%]	100.0	100
Redundancy	12.7	12.7
CC(1/2)	0.998	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293.15	200 MM AMMONIUM ACETATE, 25 % (W/V), PEG4000, 100 MM CITRATE PH 5.6